Interfacial Structure Research Articles

Trident-inspired fucoidan-based armor-piercing microcapsule for programmed acute pulmonary embolism treatment

Pulmonary embolism remains the third leading cause of human mortality after malignant tumors and myocardial infarction. Commonly available thrombolytic therapeutic agents suffer from the limitations of very short half-life, inadequate targeting, limited clot penetration, and a propensity for severe bleeding. Inspired by the trident, we developed the armor-piercing microcapsule (MC), fucoidan-urokinase-S-nitrosoglutathione-polydopamine@MC (FUGP@MC), which exhibited a triple combination of photothermal, mechanical and pharmacological thrombolysis for the therapeutic treatment of acute pulmonary embolism (APE). Briefly, the outermost fucoidan layer was utilized for targeting to the APE area. Programmed APE treatment was triggered by near-infrared (NIR) light irradiation. Photothermal thrombolytic therapy was carried out by photothermal conversion of polydopamine. The photothermal conversion broke the S-nitroso bond in S-nitrosoglutathione (GSNO) and produced large amounts of nitric oxide (NO) for mechanical thrombolysis, which subsequently disrupted the interfacial structure of microcapsule to stimulate the release of the urokinase (UK), leading to a triple synergistic thrombolytic effect. The results demonstrated that the embolization residual rate of FUGP@MC (contained ≈ 1452.5 IU/kg UK) group was significantly lower than that of UK (10,000 IU/kg) group (6.35% VS 16.78%). Remarkably, FUGP@MC demonstrated a reliable in vivo biosafety proficiency. In summary, trident-inspired armor-piercing microcapsule FUGP@MC reveals a potential avenue for advancing pulmonary embolism therapeutics and promises to be a safer alternative candidate to current drug approaches.

Enhancing sapphire/Kovar alloy brazed joint through combined effect of TiB whisker reinforcement and surface micro-nano structures

The brazed joining between Kovar alloy and sapphire was successfully achieved by using TiB whisker reinforcement and applying the surface micro-nano structure. We systematically studied the composition and mechanical properties of Kovar/Sapphire joint. The typical interfacial structure of the joint brazed at 825 °C for 10 min was determined as Sapphire/ γ-TiO/ Ti3(Cu,Al)3O/ Ag(s,s) + Cu(s,s) + TiB/ Ti2Cu + TiFe2 + TiNi3/ Kovar alloy. The addition of B forms tiny TiB whisker reinforcement phase in situ, which refines the interface structure. The presence of micro-nano structures improves the interface products on the sapphire side: reducing the generation of Ti3(Cu,Al)3O and replacing it with γ-TiO. This makes the phase transition on the sapphire side smoother and reduces thermal expansion coefficient mismatch, thereby enhancing joint strength. Under suitable brazing parameters, the maximum shear strength of the joint is 137 MPa. This study provides new insights for optimizing and improving connections between sapphire ceramics and metals, with potential applications in more ceramic/metal joining.

Comprehensive review of stabilising factors, demulsification methods, and chemical demulsifiers of oil-water emulsions

With most crude oil extracted in the form of an emulsion, a substantial quantity of interfacially active substances such as asphaltenes and resins adsorbed at the oil–water interface can form a stable interfacial film through intermolecular interactions (hydrogen bonds or π-π stacking), which hinder the coalescence of water droplets. This process improves interface stability, making oil–water separation difficult, thus considerably increasing the petroleum industry’s cost. Hence, comprehending the stability mechanism of oil–water emulsions and destroying the stable oil–water interfacial structure is vital for effective demulsification. The paper systematically reviews types, stability factors, demulsification technologies and principles of oil–water emulsions, summarises common types of demulsifiers, explains the action mechanism of demulsifiers from structure-activity relationships, and proposes future development prospects in this field, thus providing support for formulating demulsification theoretical strategies.

Interface-engineered Ni(Fe/Al)-LDHs/g-C3N4 nanosheets with metallic Fe/Al[sbnd]N bonds for efficient photocatalytic degradation of tetracycline hydrochloride

To improve the photogenerated electron–hole separation efficiency and the number of reactive oxygen species of g-C3N4 in visible light. Herein, an interface-engineered Ni(Fe/Al)-LDHs/g-C3N4 nanosheets with Fe/AlN bonds were prepared, which shows highly enhanced photocatalytic degradation performance with excellent structural stability. The interfacial structure of g-C3N4 was precisely regulated by metal Fe/Al on the surface of layered double hydroxides (LDHs), which could form Fe/AlN bonds as the interfacial charge transfer channels. In addition, the metal Ni and Fe/Al on the surface of LDHs nanosheets can furnish more photocatalytic active sites and interface synergy. The obtained 7 %NiFe-LDHs/g-C3N4 owns the degradation rate of 99.23 % for tetracycline hydrochloride (TCH) in visible light. This work highlights a rational interface engineering strategy for the formation of a composite structure with interface interaction for efficient photocatalysts.

A novel approach to improving the interfacial strength of 3D printed Al–GNP composites by modifying GNP with MgO

In this study, the MgO-coated graphene nanoplatelets (GNP)-reinforced aluminum matrix AlSi10Mg composites are fabricated by mechanical alloying and a 3D printing process. The interfacial structure of GNPs–Al has been investigated using high-resolution transmission electron microscopy, and their strengthening mechanism has been analyzed. A weak amorphous Al2O3 was found at the GNP–Al interface area in the composites made with uncoated GNPs. The structure of amorphous Al2O3 becomes distorted when load transfer is initiated, causing the detachment of GNPs from the matrix. This results in quick failure at the interface between uncoated GNPs and aluminum, restricting its overall strength. Once GNPs are coated with MgO, an Al/C mixing zone forms at the contact area, resulting in increased interface strength. The MgO coating on the GNP serves as a protective barrier, preventing the creation of a weaker amorphous Al2O3 layer at the interface and facilitating direct interaction between the GNP and Al matrix. The stress–strain curve demonstrates a 27.5% enhancement in tensile strength in the MgO-coated GNP–Al composite compared to the composite with uncoated GNPs. The strength is increased while maintaining toughness through load transmission of GNPs, bridging, and enhancing dislocation storage capacity by the Mg-rich phase. This study offers a new reference for strengthening 3D-printed aluminum alloys using GNPs.

Designing and structuring MnO2 coating compositions for efficient and clean zinc electrowinning production

Lead-silver (Pb-Ag) anodes in the zinc electrolysis have resulted in significant environmental pollution and waste of valuable resources due to the influence of the lead corrosion reaction (LCR). Herein, the composition and interfacial structure of manganese dioxide (MnO2) coatings were designed and regulated by controlling the electrodeposition nucleation process using a Pb-Ag anode as the substrate. MnO2 coatings with a three-dimensional spherical bicrystalline-phase (β/γ) hydrophilic structure were synthesized. The introduction of γ-MnO2 not only increased the hydrophilicity of the coating, but also increased the content of the active substances Mn3+ and Oabs, thus improving the intrinsic OER activity of the MnO2 anode. Furthermore, density functional calculations have demonstrated that γ-MnO2 reduces the energy barrier of the determining step and increases the adsorption capacity of OH*, which is conducive to promoting the OER process. It was also demonstrated that the MnO2-coated anode could suppress the generation of Pb4+, thus inhibit the LCR process. Long-term electrolysis experiments have shown that the β/γ-MnO2 composite phase-coated anode can not only improve the oxygen evolution reaction (OER) rate and reduce energy consumption, but also effectively mitigate the generation of lead pollution and further reduce the impurity content of zinc products. This approach can simultaneously achieve economic benefits and environmental protection.

Topological slow light and rainbow trapping of surface wave in valley photonic crystal bounded by air

Abstract Topological slow light and rainbow trapping tend to rely on large-scale interface structure in previous research work, which have restricted further miniaturization. In this work, we propose a method to realize slow light and rainbow trapping at the zigzag edge of a single valley photonic crystals (VPCs) bounded by air, which is very different from previous studies where rainbow trapping is supported at the interface separating two VPCs with inversion symmetry. By constructing the VPC–air boundaries and VPC–VPC interfaces experimentally, we have observed the topologically protected rainbow trapping simultaneously at the external and internal boundary. This work provides a feasible platform for the miniaturized optical communication devices such as optical buffers, optical storage and optical routing.

Achieving excellent thermal transport in diamond/Cu composites by breaking bonding strength-heat transfer trade-off dilemma at the interface

The heat transport enhancement of diamond/Cu composites, a new generation of thermal management materials, is trapped in the bonding strength-heat transfer trade-off dilemma at the interface due to the noticeable difference in physical and chemical properties between Cu and diamond. Herein, we propose a new strategy combining ultrathin interface modification and low-temperature high-pressure (LTHP) sintering process to prepare the diamond/Cu composites. With a suitable coefficient of thermal expansion (CTE) of <10 ppm/K, the obtained diamond/Cu composites exhibit an outstanding thermal conductivity (k) value of 763 W/m K, over 90 % of the theoretical prediction of the differential effective medium (DEM) model. Meanwhile, using a lower diamond volume fraction (45 % vs. 50%–70 %), the k value is higher than those by conventional powder metallurgy, meaning a substantial reduction in the cost by reducing diamond filler content. For such a highly mismatched diamond/Cu interface, we maintain a high bonding strength by lowering the thermal stress damage while achieve a high thermal conductance (G) of 93.5 MW/m2 K by minimizing the heat transfer obstacles. The prepared interface structure is a diamond/TiC/CuTi2/Cu configuration, where the two possible heat transfer bottlenecks (the diamond/TiC interface and the TiC/CuTi2 interlayer) are no longer limiting factors on the overall interface. The successful resolution to the interfacial heat transfer problem is responsible for the superior thermal transport performance of the composites. This work deals with the critical challenge for the diamond/Cu composites and offers deep insight into the improvement mechanisms of thermal transfer. The proposed strategy can be generalized to the integration of highly mismatched interfaces widely present in other composites or thermal management systems.

Exploring the friction and wear characteristics of MAO and MoSe2 tailored micro-pocket interface across wide temperature range

For realizing friction reduction and wear resistance across a wide temperature range, this study proposes a novel interface structure combining micro-arc oxidation (MAO) coatings on titanium alloy with MoSe2 nanoparticles. Focus on investigating the tribological behavior of this structure across a wide temperature range (RT–500 °C) and its response to temperature. Through detailed characterization, the friction-reducing and lubricating mechanisms during wear were elucidated. The results demonstrate that this structure consistently exhibits friction reduction and lubrication capabilities, with low-shear MoSe2 particles and molybdenum oxides enhancing the micro-pocket structure. This research provides valuable insights for developing integrated self-lubricating interfaces and improving the high-temperature tribological performance of MAO coatings.

Institutional Mechanisms for Enhancing Production of Doctoral Research Outputs at Makerere University

In the contemporary knowledge society, research production is being re-purposed in terms of not just its academic value, but also its wider societal value. As such, doctoral research ought to be produced in the context of application. Therefore, universities have a responsibility to enhance the uptake and use of doctoral research outputs. This necessitates institutional mechanisms for enhancing the production of doctoral research outputs for uptake and use beyond academia. We examined the institutional mechanisms for enhancing production of doctoral research outputs at Makerere University using the research knowledge infrastructure (RKI) framework as the analytical lens. This was in light of the dismal uptake and use of research produced at Makerere University by students and staff. We used qualitative single case study research design. We collected data through interviewing and review of documents. We interviewed 10 doctoral program coordinators, three managers of research and graduate training and 13 PhD students we selected purposively. We reviewed seven institutional documents pertaining graduate training at Makerere University: two plans, three policies, one framework and one guideline. We used thematic data analysis to make sense of the data. The findings revealed that due to policy-practice gaps and funding constraints, mechanisms to enhance doctoral research production to facilitate uptake and use of doctoral research outputs beyond the academia were not adequately integrated into doctoral research training. This was shown by the lack of mechanisms to enhance doctoral research commissioning and execution, and gaps in priority setting. Opportunities for productive interactions between doctoral researchers and potential users were missed. As such, doctoral research outputs largely remained within the scholarly community. We recommend that the university should establish interface structures and co-creation spaces to leverage doctoral research commissioning, execution and priority setting to facilitate the uptake and use of doctoral research outputs beyond the scientific community.

Unlocking Copper-Free Interfacial Asymmetric C-C Coupling for Ethylene Photosynthesis from CO2 and H2O.

Solar-driven carbon dioxide (CO2) reduction into C2+ products such as ethylene represents an enticing route toward achieving carbon neutrality. However, due to sluggish electron transfer and intricate C-C coupling, it remains challenging to achieve highly efficient and selective ethylene production from CO2 and H2O beyond capitalizing on Cu-based catalysts. Herein, we report a judicious design to attain asymmetric C-C coupling through interfacial defect-rendered tandem catalytic centers within a sulfur-vacancy-rich MoSx/Fe2O3 photocatalyst sheet, enabling a robust CO2 photoreduction to ethylene without the need for copper, noble metals, and sacrificial agents. Specifically, interfacial S vacancies induce adjacent under-coordinated S atoms to form Fe-S bonds as a rapid electron-transfer pathway for yielding a Z-scheme band alignment. Moreover, these S vacancies further modulate the strong coupling interaction to generate a nitrogenase-analogous Mo-Fe heteronuclear unit and induce the upward shift of the d-band center. This bioinspired interface structure effectively suppresses electrostatic repulsion between neighboring *CO and *COH intermediates via d-p hybridization, ultimately facilitating an asymmetric C-C coupling to achieve a remarkable solar-to-chemical efficiency of 0.565% with a superior selectivity of 84.9% for ethylene production. Further strengthened by MoSx/WO3, our design unveils a promising platform for optimizing interfacial electron transfer and offers a new option for C2+ synthesis from CO2 and H2O using copper-free and noble metal-free catalysts.

Evolution of strengthening precipitates in Al-4.0Zn-1.8Mg-1.2Cu (at.%) alloy with high Zn/Mg ratio during artificial aging

Evolution of strengthening precipitates, including their types, sizes, volume fraction, and chemical compositions in Al-4.0Zn-1.8Mg-1.2Cu (at.%) alloy during artificial aging, were investigated using anomalous small-angle X-ray scattering (ASAXS), three-dimensional atom probe techniques (APT), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and density functional theory (DFT) calculation. Upon aging, Cu-containing clusters merge with adjacent clusters to form larger clusters, which then act as nucleation sites for GPη' zones. As aging proceeds, GPη' zones grow up to η'I metastable phase with seven atomic layers on {111}Al planes, and this process is controlled by diffusion of Mg atoms. Cu atoms have a low diffusion rate and do not participate into the growth of precipitates within the first 60mins of aging. As aging time increases, Cu atoms enter the η'I metastable phase, leading to a significant increase in Cu content and (Zn+Cu)/Mg ratio; η'I metastable phase grow, and after exceeding about 7nm, gradually transform into the η'II metastable phase with ten atomic layers by adding three new atomic layers at one side. GPη' zones, η'I metastable phase and η'II metastable phase have symmetric interface structures. The precipitation sequence during aging to peak state can be summarized as: atomic clusters → GPη' zones → η'I metastable phase → η'II metastable phase.

Synthesis mechanism and interface contribution towards the strengthening effect of in-situ Ti5Si3 reinforced Al matrix composites

As a titanium-silicon intermetallic compound, Ti5Si3 can offer great potentials as a reinforcement agent in metal matrix composites due to its exceptional mechanical and physical properties. In this study, Ti5Si3 particles are successfully in-situ synthesized in Al-Si-Ti system through the interdiffusion reaction between Ti-Si using a powder metallurgy approach. The composites interface structure is transformed from Al/Ti5Si3 non-coherent interface to Al/TiSi/Ti5Si3 coherent/semi-coherent interface with the formation of TiSi transition layer. It enhances the interface bonding between Ti5Si3 particles and Al matrix, mitigates the mechanical differences between the matrix and the reinforcements, thereby enhancing the coordinated deformation ability. Simultaneously, the generated gradient interface between Ti@Ti5Si3 core-shell structure particles and Al matrix suppresses the rapid propagation of cracks in brittle reinforcement. As a result, the mechanical performance of AMCs is improved to 96.1 GPa for elastic modulus and 327 MPa for strength while maintaining a fracture elongation of 6.5%, which shows significantly enhancement compared with Al-5Si and Al-2.37Ti matrix. These findings establish a robust microstructural foundation for fully harnessing the strengthening effects of the reinforcements and provide a feasible technical route of utilizing the in-situ synthesized reinforcing particles for improving the mechanical performance of Al matrix composites.

Effects of Varying Nano-Montmorillonoid Content on the Epoxy Dielectric Conductivity

This study investigates the correlation between the interface structure and macroscopic dielectric properties of polymer-based nanocomposite materials. Utilizing bisphenol-A (BPA) epoxy resin (EP) as the polymer matrix and the commonly employed layered phyllosilicate montmorillonoid (MMT) as the nanometer-scale dispersive phase, nano-MMT/EP composites were synthesized using composite technology. The microstructure of the composite samples was characterized through XRD, FTIR, SEM, and TEM. Changes in the morphology of the nanocomposite interface were observed with varying MMT content, subsequently impacting dielectric polarization and loss. Experimental measurements of the dielectric spectrum of the nano-MMT/EP were conducted, and the influence of the material interface, at different nano-MMT contents, on the dielectric relaxation was analyzed. The study delves into the effect of the nanocomposite interface structure on ion dissociation and migration barriers, exploring the ionic conductivity of nano-MMT/EP. Lastly, an analysis of the impact of different nano-MMT contents on the dielectric conductivity is presented. From the experimental results, the arranging regularity of polymer molecules in the interface area raises. In the matrix, the ion migration barriers decrease significantly. The higher the MMT content in the interface, the lower the migration barrier is. Until the MMT content exceeds the threshold, the agglomerated micro-particles form, which decreases the polymers’ space distribution regularity, and the ions migration barrier raises. According to the changes in the rule of the ions migration barrier with the composite interface structure content, the reason for dielectric conductivity changes can be judged.

Inverse ceria-nickel catalyst for enhanced C-O bond hydrogenolysis of biomass and polyether.

Regulating interfacial electronic structure of oxide-metal composite catalyst for the selective transformation of biomass or plastic waste into high-value chemicals through specific C-O bond scission is still challenging due to the presence of multiple reducible bonds and low catalytic activity. Herein, we find that the inverse catalyst of 4CeOx/Ni can efficiently transform various lignocellulose derivatives and polyether into the corresponding value-added hydroxyl-containing chemicals with activity enhancement (up to 36.5-fold increase in rate) compared to the conventional metal/oxide supported catalyst. In situ experiments and theoretical calculations reveal the electron-rich interfacial Ce and Ni species are responsible for the selective adsorption of C-O bond and efficient generation of Hδ- species, respectively, which synergistic facilitate cleavage of C-O bond and subsequent hydrogenation. This work advances the fundamental understanding of interfacial electronic interaction over inverse catalyst and provides a promising catalyst design strategy for efficient transformation of C-O bond.

Bi3TiNbO9/Bi2S3 Heterojunction for Efficient Photosynthesis of H2O2 in Pure Water

AbstractHeterojunction engineering has been deemed one of the most promising strategies for promoting charge separation and improving solar‐to‐chemicals efficiency. Howbeit, constructing well‐defined nanoheterojunction with superior photocatalytic activity for H2O2 generation and a clear reaction mechanism remains a formidable challenge. Herein, an in situ vulcanization way to synthesize an intriguing 2D/1D Bi3TiNbO9/Bi2S3 heterojunction by growing Bi2S3 nanorods on Bi3TiNbO9 microsheet is used for the first time, where an S‐scheme charge transfer mechanism is formed that facilitates the spatial separation of charge carriers. Moreover, the in situ grown Bi2S3 on Bi3TiNbO9 can optimize the interfacial electronic structure and the reaction energy barriers. As a result, the H2O2 yield rate for Bi3TiNbO9/Bi2S3 can reach 810(2) µmol g−1 h−1 without any sacrificial agents and cocatalysts, ≈6.18 and ≈18.0 times of pristine Bi3TiNbO9 and Bi2S3, respectively. Importantly, the heterojunction unveiled unprecedented stability, remaining ≈95.46(2)% of the initial one after 13 continuous cycles. This work highlights an innovative in situ vulcanization strategy to engineer oxide perovskite/metal sulfide nanocomposite catalysts for artificial photosynthesis of H2O2, opening new opportunities for achieving highly efficient photocatalyst systems.

Investigation on the interface microstructure and phase composition of laser cladding pure copper coating

Laser cladding is an efficient and clean method that can prepare a corrosion-resistant pure copper coating on the nuclear fuel container surface to ensure service safety. In this study, the single-layer and double-layer pure copper coatings were prepared on 20# steel tubes by laser cladding. The microstructure, elements distribution, phase composition, and interface structure, as well as strain distribution, were characterized by Scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), high-resolution transmission electron microscopy (HRTEM), and transmission kikuchi diffraction (TKD). The results show that the kernel average misorientation (KAM) and geometry necessary dislocation (GND) density at the coating/substrate interface in the double-layer Cu coating decrease compared to the single-layer Cu coating. Under the thermal action during laser cladding of double-layer coating, the phase composition in the substrate transforms completely from austenite, FeO, and ferrite to the entire ferrite. The Cu/Fe interface maintains certain orientation relationships, namely the Kurdjumov-Sachs (KS) and the Nishiyama-Wassermann (NW) relationships, with a mismatch of only 3.01 % for the coherent interface. Thus, the lattice distortion at the interface reduces, slightly alleviating the strain concentration.

A novel fatigue life model for MCrAlY coated superalloys considering interfacial microstructure evolution

MCrAlY coatings, extensively utilized for safeguarding turbine blades against oxidation and erosion, encounter impediments due to inter-diffusion between the coating and substrate, thereby exacerbating fatigue life degradation at elevated temperatures. In this study, we introduce a novel approach involving the modification of critical depth in interfacial strain energy density to elucidate the impact of interfacial microstructure evolution on mechanical properties. Building upon this concept, we propose a fatigue life prediction model, which incorporates the dynamic evolution of interfacial structure and mechanical characteristics. Validation against empirical data underscores the commendable precision of the model. Our inquiry not only advances the comprehension of mechanical-chemical coupled behaviors but also yields significant insights for the optimization and maintenance of turbine blades.

Regulating the interfacial structure in percolating graphite nanoplate/PVDF composites via TiO2 as an interlayer towards meliorative dielectric performances

Polymer nanocomposites combining large dielectric permittivity (ε′) but low loss along with high breakdown strength (Eb) have garnered significant attention in the fields of electronic devices and power systems. To concurrently accomplish these desirable performances in pristine graphite nanoplates (GNP)/poly(vinylidene fluoride, PVDF) composites, the GNP were initially encased by a layer of anatase-type titanium dioxide (TiO2) shell, and then incorporated into PVDF to investigate the effect of TiO2 interlayer on the dielectric properties of the nanocomposites, specifically in relation to the thickness of the TiO2 shell and the nanofiller concentration. The TiO2 shell acts as a barrier layer prohibiting the electronic percolating, thus significantly reducing the dielectric loss and leakage conductivity of the GNP@TiO2/PVDF. Moreover, it not only alleviates the strong dielectric mismatch between GNP and PVDF, which restrains local electric field distortion, but also introduces charge traps, raising the energy barrier height for captured charge detrapping and preventing the growth of electric trees and subsequently promoting the Eb. For example, the PVDF with 20 wt% of GNP@TiO2 exhibited good comprehensive dielectric performances: ε′ of 50.63, loss factor of 0.071 (100 Hz) and Eb of 7.89 kV/mm. Additionally, tailoring the TiO2’s thickness can simultaneously modulate the overall dielectric parameters in the GNP@TiO2/PVDF. Theoretical fitting of experimental data via Havriliak-Negami equation uncovers the underlying polarization mechanism and the interlayer’s impact on charge migration. This work provides an efficient method for developing and producing polymeric nanodielectrics that simultaneously incorporate increased Eb with high ε′ but low loss for potential use in power devices and microelectronic devices.

Effects of transition elements additions on interfacial properties of Al (111)/B4C (0001) interface based on first-principles study

In this study, the structural stability and adhesion performance of the Al (111)/B4C (0001) interface are explored by performing first-principles calculations, as well as the effects of the additions of the transition elements Sc, Zr, and V on the interfacial adhesion work and electron structures are further investigated. The results of interfacial structure calculations demonstrate that the B-terminated interface with FCC site stacking modality is the optimal configuration of the Al (111)/B4C (0001) interface. The results of adhesion work and electronic properties indicate that the d orbitals of Sc, Zr, and V elements are hybridized with the p orbital of B to form Sc-B, Zr-B, and V-B bonds, respectively, at the interface, which are more covalent than the Al-B bond. In particular, the hybridization between the d orbital of the V element and the p-orbital of B is more intense. Therefore, the best improvement of the interfacial wettability is obtained by the V element, in which the interfacial adhesion work is enhanced by 41.18% compared to the undoped interface. A theoretical guide to enhance the wettability and interfacial properties of the Al/B4C system by adding transition elements can be provided by our calculations.